3,3-dimethyl-5-oxo-hexanoic acid ethyl ester | 84924-09-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3,3-dimethyl-5-oxo-hexanoic acid ethyl ester
• 英文别名: 3,3-Dimethyl-5-oxo-hexansaeure-aethylester；ethyl 3,3-dimethyl-5-oxohexanoate
• CAS: 84924-09-4
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: WQYBQHLAONTIRY-UHFFFAOYSA-N

物化性质

• 沸点：
  110-115 °C(Press: 13 Torr)
• 密度：
  0.958±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙醇 、 3,3-dimethyl-5-oxohexanoic acid 在 盐酸 作用下， 生成 3,3-dimethyl-5-oxo-hexanoic acid ethyl ester
  参考文献：
  名称：

  Qudrat-I-Khuda, Journal of the Chemical Society, 1929, p. 207

  摘要：

  DOI：

文献信息

• TETRAHYDROCARBOLINE DERIVATIVE
  申请人：Ohata Akira

  公开号：US20130109699A1

  公开（公告）日：2013-05-02

  An object of the present invention is to provide a drug having the inhibitory activity on ENPP2 which is a different target from that of the existing drug, as a medicament useful in a urinary excretion disorder patient for whom the existing drug has the insufficient effect. The present invention provides a compound represented by the general formula (I): (wherein definition of each group is as defined in the description) having the ENPP2 inhibitory activity, a salt thereof or a solvate thereof or a prodrug thereof, and an agent for preventing or treating urinary excretion disorder and/or improving symptoms thereof, containing them as an active ingredient.

  本发明的目的是提供一种药物，具有对ENPP2具有抑制活性，该活性与现有药物的靶点不同，作为一种对现有药物效果不足的尿液排泄障碍患者有用的药物。本发明提供了一种由通式（I）表示的化合物：（其中每个基团的定义如描述中所定义）具有ENPP2抑制活性，其盐或溶剂或前药，以及作为活性成分的含有它们的用于预防或治疗尿液排泄障碍和/或改善症状的药剂。
• SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS
  申请人：BRADBURY Barton James

  公开号：US20070197646A1

  公开（公告）日：2007-08-23

  Substituted taraxastanes useful for treating viral infections, are provided herein. Thus, in a first aspect, the invention provides compounds of Formula I and the pharmaceutically acceptable salts thereof, wherein the variables R 1 , R 2 , and X are defined herein. The compounds described herein are thought to act by inhibiting retroviral maturation, including maturation of encapsulated retroviruses viruses, such as the HIV viruses, HIV-1 and HIV-2. Pharmaceutical compositions comprising such compounds of Formula I are included herein. Methods of using such compounds to treat human patients infected with an HIV virus and reducing the mortality of AIDS are also provided herein.

  提供了用于治疗病毒感染的替代性taraxastanes。因此，在第一个方面，本发明提供了公式I的化合物及其药用盐，其中变量R1、R2和X在此定义。这里描述的化合物被认为通过抑制逆转录病毒成熟来发挥作用，包括包膜逆转录病毒病毒的成熟，如HIV病毒、HIV-1和HIV-2。本文还包括包含公式I化合物的药物组合物。提供了使用这种化合物治疗感染HIV病毒的人类患者并减少艾滋病死亡率的方法。
• SALT FORM AND CRYSTAL FORM OF 1,2,5-THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE
  申请人：JIANGSU KANION PARMACEUTICAL CO. LTD

  公开号：US20180141940A1

  公开（公告）日：2018-05-24

  The present invention discloses a salt form, crystal form and intermediate of the compound 1, and preparation method thereof.

  本发明公开了化合物1的盐形式、晶体形式和中间体，以及其制备方法。
• Process for the production of dimedone
  申请人：Lonza Ltd.

  公开号：US04414418A1

  公开（公告）日：1983-11-08

  Process for the production of dimedone from isophorone. The isophorone is converted in the presence of a solvent with ozone into an ozone-addition product. An alcohol corresponding to the ester radical is added at the latest after the formation of the ozone-addition product for the formation of the intermediate product, 3,3-dimethyl-5-oxo-hexanoic acid ester. The ozone addition product is heated in the presence of acids to a temperature of 20.degree. to 150.degree. C. The 3,3-dimethyl-5-oxo-hexanoic acid ester is isolated thereby. The ester is then converted in a further step into dimedone by treatment of the ester with an alkali alcoholate in an anhydrous milieu.

  从异佛农制备二甲酮的过程。异佛农在溶剂的存在下与臭氧反应生成臭氧加成产物。在臭氧加成产物形成后，加入与酯基相应的醇以形成中间产物3,3-二甲基-5-氧代己酸酯。臭氧加成产物在酸的存在下加热至20℃到150℃的温度。从而分离出3,3-二甲基-5-氧代己酸酯。然后在进一步的步骤中，通过在无水环境中使用碱性醇酸盐处理酯，将酯转化为二甲酮。
• US4414418A
  申请人：——

  公开号：US4414418A

  公开（公告）日：1983-11-08